3-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid; 2-azanyl-3-(2-methylphenyl)propanoic acid

Systemtic Name: 3-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid; 2-azanyl-3-(2-methylphenyl)propanoic acid Openeye Name: 3-(2-amino-3-hydroxy-2-methyl-3-oxo-propyl)benzoic acid; 2-amino-3-(o-tolyl)propanoic acid CAS Name: 3-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)benzoic acid; 2-amino-3-(2-methylphenyl)propanoic acid IUPAC Name: 3-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)benzoic acid; 2-amino-3-(2-methylphenyl)propanoic acid Traditional Name: 3-(2-amino-3-hydroxy-3-keto-2-methyl-propyl)benzoic acid; 2-amino-3-(o-tolyl)propionic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)O)N.CC(CC1=CC=CC(=C1)C(=O)O)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)O)N.CC(CC1=CC=CC(=C1)C(=O)O)(C(=O)O)N

InChI

InChI=1S/C11H13NO4.C10H13NO2/c1-11(12,10(15)16)6-7-3-2-4-8(5-7)9(13)14;1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5H,6,12H2,1H3,(H,13,14)(H,15,16);2-5,9H,6,11H2,1H3,(H,12,13)